Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 5
Ligand
BDBM50248481
Substrate
n/a
Meas. Tech.
ChEMBL_543512 (CHEMBL1019461)
IC50
0.48±n/a nM
Citation
 Barber, CG; Blakemore, DC; Chiva, JY; Eastwood, RL; Middleton, DS; Paradowski, KA 1-Amido-1-phenyl-3-piperidinylbutanes--CCR5 antagonists for the treatment of HIV: part 2. Bioorg Med Chem Lett 19:1499-503 (2009) [PubMed]  Article 
Target
Name:
C-C chemokine receptor type 5
Synonyms:
C-C CKR-5 | C-C chemokine receptor type 5 | CC-CKR-5 | CCR-5 | CCR5 | CCR5/mu opioid receptor complex | CCR5_HUMAN | CD_antigen=CD195 | CHEMR13 | CMKBR5 | HIV-1 fusion coreceptor
Type:
Enzyme
Mol. Mass.:
40540.21
Organism:
Homo sapiens (Human)
Description:
P51681
Residue:
352
Sequence:
MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
  
Inhibitor
Name:
BDBM50248481
Synonyms:
3,3-difluoro-N-((1S,3R)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide | CHEMBL491319
Type:
Small organic molecule
Emp. Form.:
C26H37F2N5O
Mol. Mass.:
473.6017
SMILES:
CC(C)c1nnc(C)n1C1CCN(CC1)[C@H](C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: